Rhodirubin C

Molecular Formula: C₄₂H₅₃NO₁₆

InChI: InChI=1/C42H53NO16/c1-8-42(52)16-27(31-20(35(42)41(51)53-7)13-21-32(37(31)49)38(50)34-25(46)10-9-24(45)33(34)36(21)48)57-29-14-22(43(5)6)39(18(3)55-29)59-30-15-26(47)40(19(4)56-30)58-28-12-11-23(44)17(2)54-28/h9-10,13,17-19,22,26-30,35,39-40,45-47,49,52H,8,11-12,14-16H2,1-7H3/t17u,18u,19u,22?,26?,27-,28?,29?,30?,35-,39?,40?,42+/m0/s1

InChIKey: InChIKey=STUJMJDONFVTGM-FVDUKAMJBI
SMILES: CCC1(CC(C2=C(C1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O

Names:
    Cinerubine A
    Cinerubin A
    methyl (1R,2R,4S)-4-[4-dimethylamino-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxo-oxan-2-yl)oxy-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
    NSC 18334
    NSC 267694
    NSC18334
    Rhodirubin C
    1-Naphthacenecarboxylic acid, 1-ethyl-1,2,3,4,6,11-hexahydro-2,5, 7,10-tetrahydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O- (2, 6-dideoxy-4-O-(2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)- .alpha.-L-lyxo-hexopyranosyl-3-(dimethylamino)-.alpha.-L-lyxo-hexo pyranosyl]oxy]-, methyl ester (1R-(1.alpha.,2.beta.,4.beta.))-
    1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6, 11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-[2,3, 6-trideoxy-4-O-[2, 6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl) -.alpha.-L-lyxo-hexopyranosyl]-3-(dimethylamino)-.alpha.-L-lyxo-he xopyranosy-
    1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6, 11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-[[2,3, 6-trideoxy-4-O-[2, 6-dideoxy-4-O-[ (2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl] -.alpha.-L-lyxo-hexopyranosyl]-3-(dimethylamino)-.alpha.-L-lyxo-he xopyranosyl]oxy]-, methyl ester,[1R-(1.alpha.,2.beta.,4.beta.)]-
    34044-10-5

Registries:
    PubChem CID 122802
    PubChem ID 81421